Water formation through a quantum tunneling surface reaction, OH+ H2, at 10 K Y Oba, N Watanabe, T Hama, K Kuwahata, H Hidaka, A Kouchi
The Astrophysical Journal 749 (1), 67, 2012
123 2012 The mechanism of surface diffusion of H and D atoms on amorphous solid water: Existence of various potential sites T Hama, K Kuwahata, N Watanabe, A Kouchi, Y Kimura, T Chigai, ...
The Astrophysical Journal 757 (2), 185, 2012
97 2012 Signatures of quantum-tunneling diffusion of hydrogen atoms on water ice at 10 K K Kuwahata, T Hama, A Kouchi, N Watanabe
Physical review letters 115 (13), 133201, 2015
63 2015 MXene Phase with C3 Structure Unit: A Family of 2D Electrides S Bae, W Espinosa‐García, YG Kang, N Egawa, J Lee, K Kuwahata, ...
Advanced Functional Materials 31 (24), 2100009, 2021
22 2021 Low-Barrier Hydrogen Bond in Fujikurin A–D: A Computational Study H Tanaka, K Kuwahata, M Tachikawa, T Udagawa
ACS omega 7 (16), 14244-14251, 2022
5 2022 Nuclear Quantum Effect on the Geometry of NH4 + (H2 O) K Kuwahata, M Tachikawa
Bulletin of the Chemical Society of Japan 93 (12), 1558-1563, 2020
4 2020 Muon spin rotation (μSR) for characterizing radical addition to C= S in xanthene-9-thione and thioxanthene-9-thione S Ito, H Akama, KM Kojima, I McKenzie, K Kuwahata, M Tachikawa
Bulletin of the Chemical Society of Japan 96 (5), 461-464, 2023
3 2023 Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study T Udagawa, H Tanaka, T Hirano, K Kuwahata, M Tachikawa, M Baba, ...
The Journal of Physical Chemistry A 127 (4), 894-901, 2023
3 2023 Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: An ab initio path integral molecular dynamics study T Udagawa, K Kuwahata, M Tachikawa
Computational and Theoretical Chemistry 1208, 113542, 2022
3 2022 Carbon Monoxide Hydrogenation on Ice Surfaces K Kuwahata, K Ohno
ChemPhysChem 19 (11), 1382-1389, 2018
3 2018 Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study T Udagawa, H Tanaka, K Kuwahata, M Tachikawa
The Journal of Physical Chemistry A 128 (11), 2103-2110, 2024
2 2024 A path integral molecular dynamics study on the muoniated xanthene-thione molecule K Kuwahata, S Ito, M Tachikawa
The Journal of Chemical Physics 159 (10), 2023
2 2023 Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin T Udagawa, H Yabushita, H Tanaka, K Kuwahata, M Tachikawa
Physical Chemistry Chemical Physics 25 (23), 15798-15806, 2023
2 2023 Path Integral Molecular Dynamics Study on K Kuwahata, M Tachikawa
Few-Body Systems 62, 1-5, 2021
1 2021 A theoretical study on muoniated N-heterocyclic carbenes using path integral molecular dynamics S Orikono, K Kuwahata, T Shimazaki, M Tachikawa
The Journal of Chemical Physics 161 (18), 2024
2024 Impact of Underlying Insulators on the Crystallinity and Antisite Defect Formation in PVD-MoS2 Films N Matsunaga, S Imai, T Shirokura, Y Mochizuki, K Kuwahata, K Tsutsui, ...
IEEE Journal of the Electron Devices Society, 2024
2024 Formation and structure of AD Pant, A Koda, B Geil, K Ishida, R Adhikari, K Kuwahata, M Tachikawa, ...
Physical Review B 110 (10), 104104, 2024
2024 Nuclear quantum effects in phase transition between Ice VII and Ice X K Kuwahata, M Tachikawa
The Journal of Chemical Physics 160 (21), 2024
2024 Nuclear quantum effects on the intramolecular hydrogen bonds in biuret and biguanide K Nishikawa, H Tanaka, K Kuwahata, M Tachikawa, T Udagawa
Physical Chemistry Chemical Physics 26 (37), 24364-24369, 2024
2024 Nuclear quantum and H/D isotope effects on aromaticity: path integral molecular dynamics study H Tanaka, K Kuwahata, M Tachikawa, T Udagawa
Physical Chemistry Chemical Physics 26 (29), 19934-19939, 2024
2024 